1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole

C15H13ClFN — CID 114065374

IUPAC1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole
SMILESFc1cccc(N2CCc3ccccc32)c1CCl
InChIInChI=1S/C15H13ClFN/c16-10-12-13(17)5-3-7-15(12)18-9-8-11-4-1-2-6-14(11)18/h1-7H,8-10H2
InChIKeyDVGDHLMXMXAFRN-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.26
Rot. Bonds2

About 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole

1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole (PubChem CID 114065374) has the molecular formula C15H13ClFN and a molecular weight of 261.73 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole
PubChem CID114065374
Molecular FormulaC15H13ClFN
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Name1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole
SMILESFc1cccc(N2CCc3ccccc32)c1CCl
InChIInChI=1S/C15H13ClFN/c16-10-12-13(17)5-3-7-15(12)18-9-8-11-4-1-2-6-14(11)18/h1-7H,8-10H2
InChIKeyDVGDHLMXMXAFRN-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methanol
CID 28945727
[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
CID 79516544
2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
1-[4-bromo-2-(chloromethyl)phenyl]-2,3-dihydroindole
CID 114061498
N-[[2-chloro-6-(2,3-dihydroindol-1-yl)phenyl]methyl]cyclopropanamine
CID 43281017
5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
[2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 103494043
[2-(2,3-dihydroindol-1-yl)-5-fluorophenyl]methanamine
CID 43313804
1-[2-(chloromethyl)-3-fluorophenyl]-4-propan-2-ylpiperidine
CID 114065502
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-[4-(chloromethyl)-2-pyridinyl]-2,3-dihydroindole
CID 61256792
1-[2-(chloromethyl)-4-nitrophenyl]-2,3-dihydroindole
CID 28964405

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole?
The IUPAC name of 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole (CID 114065374) is 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole?
The canonical SMILES for 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole is Fc1cccc(N2CCc3ccccc32)c1CCl.
What is the InChIKey of 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole?
The InChIKey is DVGDHLMXMXAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN/c16-10-12-13(17)5-3-7-15(12)18-9-8-11-4-1-2-6-14(11)18/h1-7H,8-10H2.
What are the key properties of 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole?
1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole has a molecular weight of 261.73 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-3-fluorophenyl]-2,3-dihydroindole is sourced from PubChem (CID 114065374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).